Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 9/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 3/20 | 0.38 |
| ▸ | WHR1 | P49842 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14715358 | 0.89 | MCHR1 (0.42) | TRPV1WHR1 | |
| SCHEMBL14715474 | 0.86 | MCHR1 (0.36) | — | |
| SCHEMBL14715274 | 0.86 | TACR3 (0.45) | — | |
| SCHEMBL2172535 | 0.86 | TSHR (0.42) | TSHRKMT2AOPRM1TRPV1POLB | |
| SCHEMBL14715414 | 0.85 | NPC1 (0.41) | — | |
| SCHEMBL14715300 | 0.84 | KDM4E (0.38) | CTNNB1TCF7L2SMN1; SMN2 | |
| SCHEMBL14715376 | 0.83 | WHR1 (0.46) | WHR1 | |
| SCHEMBL14715424 | 0.82 | WHR1 (0.42) | WHR1 | |
| SCHEMBL14715403 | 0.81 | WHR1 (0.41) | WHR1 | |
| SCHEMBL14715369 | 0.81 | PDE5A (0.44) | WHR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346848-B1 | QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | claimed |